SCHEMBL8235753

SCHEMBL8235753

CC(C)N1CCC(Oc2ccnc3c(CF)cccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.41
SLC5A7 Q9GZV3 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
AR P10275 7/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8230091 0.89 SCN8A (0.43)
SCHEMBL8236219 0.87 HRH3 (0.41) HRH3AR
SCHEMBL8238855 0.86 AR (0.38) CYP3A4AR
SCHEMBL8235688 0.84 AR (0.39) CYP3A4AR
SCHEMBL8238871 0.84 NAMPT (0.37) HRH3AR
SCHEMBL8237836 0.84 AR (0.40) HRH3AR
SCHEMBL5532727 0.84 HRH3 (0.42) HRH3SLC5A7CYP3A4CYP2D6AR
SCHEMBL5528104 0.83 HRH3 (0.45) HRH3CYP3A4CYP2D6AR
SCHEMBL8238859 0.83 AR (0.35) AR
SCHEMBL8238217 0.83 HRH3 (0.38) HRH3SLC5A7CYP3A4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007071055-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2007-06-28 WO disclosed